4-[[3-(butanoylamino)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(butanoylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(butanoylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[3-(1-oxobutylamino)anilino]butanoic acid IUPAC Name: 4-[3-(butanoylamino)anilino]-4-oxobutanoic acid Traditional Name: 4-(3-butyramidoanilino)-4-keto-butyric acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC(=C1)NC(=O)CCC(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC=CC(=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H18N2O4/c1-2-4-12(17)15-10-5-3-6-11(9-10)16-13(18)7-8-14(19)20/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,17)(H,16,18)(H,19,20)